N-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide

C14H15NO3 — CID 114821401

IUPACN-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(O)cc2)co1
InChIInChI=1S/C14H15NO3/c1-10-7-12(9-18-10)14(17)15(2)8-11-3-5-13(16)6-4-11/h3-7,9,16H,8H2,1-2H3
InChIKeyAPKOYWQCXMVMPS-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.57
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide

N-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide (PubChem CID 114821401) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide
PubChem CID114821401
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(O)cc2)co1
InChIInChI=1S/C14H15NO3/c1-10-7-12(9-18-10)14(17)15(2)8-11-3-5-13(16)6-4-11/h3-7,9,16H,8H2,1-2H3
InChIKeyAPKOYWQCXMVMPS-UHFFFAOYSA-N
XLogP2.57
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid
CID 114818756
N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N,5-dimethylfuran-3-carboxamide
CID 114822675
N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104629381
3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47180891
N,N,5-trimethylfuran-3-carboxamide
CID 45123510
4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 123178559
4,5-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47180850
5-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 63865818
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide
CID 114822209
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate
CID 61044601

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide (CID 114821401) is N-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ccc(O)cc2)co1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide?
The InChIKey is APKOYWQCXMVMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10-7-12(9-18-10)14(17)15(2)8-11-3-5-13(16)6-4-11/h3-7,9,16H,8H2,1-2H3.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide?
N-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 114821401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).